5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole

C24H20N6O2 — CID 118529464

IUPAC5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
SMILESCOc1cccc(-c2nc(-c3cccc(-c4n[nH]c(-c5cccc(OC)c5)n4)c3)n[nH]2)c1
InChIInChI=1S/C24H20N6O2/c1-31-19-10-4-8-17(13-19)23-25-21(27-29-23)15-6-3-7-16(12-15)22-26-24(30-28-22)18-9-5-11-20(14-18)32-2/h3-14H,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyKJBZKTFMOQHRQU-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.61
Rot. Bonds6

About 5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole

5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole (PubChem CID 118529464) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
PubChem CID118529464
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
SMILESCOc1cccc(-c2nc(-c3cccc(-c4n[nH]c(-c5cccc(OC)c5)n4)c3)n[nH]2)c1
InChIInChI=1S/C24H20N6O2/c1-31-19-10-4-8-17(13-19)23-25-21(27-29-23)15-6-3-7-16(12-15)22-26-24(30-28-22)18-9-5-11-20(14-18)32-2/h3-14H,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyKJBZKTFMOQHRQU-UHFFFAOYSA-N
XLogP4.61
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529375
5-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzene-1,3-diamine
CID 43826589
5-(3-methoxyphenyl)-3-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-1,2,4-triazole;hydrochloride
CID 21180336
5-(chloromethyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
CID 79601243
N-[[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]methyl]-N-methylethanamine
CID 21180315
5-(azetidin-3-yl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
CID 84693526
[2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl acetate
CID 14772197
ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 144664757
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135421750
5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529706
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole?
The IUPAC name of 5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole (CID 118529464) is 5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole is COc1cccc(-c2nc(-c3cccc(-c4n[nH]c(-c5cccc(OC)c5)n4)c3)n[nH]2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole?
The InChIKey is KJBZKTFMOQHRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c1-31-19-10-4-8-17(13-19)23-25-21(27-29-23)15-6-3-7-16(12-15)22-26-24(30-28-22)18-9-5-11-20(14-18)32-2/h3-14H,1-2H3,(H,25,27,29)(H,26,28,30).
What are the key properties of 5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole?
5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole has a molecular weight of 424.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 118529464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).